General Information of the Compound
| Compound ID |
CP0536309
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| Compound Name |
1-N-[(S)-(3-chloro-2-fluorophenyl)-(3-fluoropyridin-2-yl)methyl]-2-N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylsulfonylbenzene-1,2-diamine
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| Structure |
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| Formula |
C24H21ClF2N6O4S
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| Molecular Weight |
562.986
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| Canonical SMILES |
COc1nc(Nc2cc(ccc2N[C@@H](c2cccc(Cl)c2F)c2ncccc2F)S(C)(=O)=O)nc(OC)n1
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| InChI |
InChI=1S/C24H21ClF2N6O4S/c1-36-23-31-22(32-24(33-23)37-2)30-18-12-13(38(3,34)35)9-10-17(18)29-20(21-16(26)8-5-11-28-21)14-6-4-7-15(25)19(14)27/h4-12,20,29H,1-3H3,(H,30,31,32,33)/t20-/m0/s1
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| InChIKey |
VRRUOTAOJPJOKB-FQEVSTJZSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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